General Information of the Compound
| Compound ID |
CP0462258
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| Compound Name |
CHEMBL492544
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| Formula |
C31H41N5O
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| Molecular Weight |
499.703
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| Canonical SMILES |
CN(C)C(=O)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1
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| InChI |
InChI=1S/C31H41N5O/c1-23-32-28-11-7-8-12-29(28)36(23)27-21-25-13-14-26(22-27)35(25)20-17-31(24-9-5-4-6-10-24)15-18-34(19-16-31)30(37)33(2)3/h4-12,25-27H,13-22H2,1-3H3/t25-,26+,27+
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| InChIKey |
ORYHKPOXGDELRN-UQWUFBTJSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound